1-ethylimidazole;octane

C13H26N2 — CID 145297576

IUPAC1-ethylimidazole;octane
SMILESCCCCCCCC.CCn1ccnc1
InChIInChI=1S/C8H18.C5H8N2/c1-3-5-7-8-6-4-2;1-2-7-4-3-6-5-7/h3-8H2,1-2H3;3-5H,2H2,1H3
InChIKeySKXAHPIRHVASSJ-UHFFFAOYSA-N
MW210.37 g/mol
LogP4.27
Rot. Bonds6

About 1-ethylimidazole;octane

1-ethylimidazole;octane (PubChem CID 145297576) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 1-ethylimidazole;octane.

Molecular Properties

Compound Name1-ethylimidazole;octane
PubChem CID145297576
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name1-ethylimidazole;octane
SMILESCCCCCCCC.CCn1ccnc1
InChIInChI=1S/C8H18.C5H8N2/c1-3-5-7-8-6-4-2;1-2-7-4-3-6-5-7/h3-8H2,1-2H3;3-5H,2H2,1H3
InChIKeySKXAHPIRHVASSJ-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 175480877
cobalt(2+);tetrakis(1-ethylimidazole);diisothiocyanate
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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole;octane?
The IUPAC name of 1-ethylimidazole;octane (CID 145297576) is 1-ethylimidazole;octane.
What is the SMILES notation for 1-ethylimidazole;octane?
The canonical SMILES for 1-ethylimidazole;octane is CCCCCCCC.CCn1ccnc1.
What is the InChIKey of 1-ethylimidazole;octane?
The InChIKey is SKXAHPIRHVASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H8N2/c1-3-5-7-8-6-4-2;1-2-7-4-3-6-5-7/h3-8H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of 1-ethylimidazole;octane?
1-ethylimidazole;octane has a molecular weight of 210.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole;octane is sourced from PubChem (CID 145297576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).